Binding information for 4hy5_ligand_1_4.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hy5_ligand_1_4.mol2 | 4hy5 | 0.933333 | -5.75 | CC1CCC(F)(F)CC1 | 9 |
Structure and binding mode of 4hy5_ligand_1_4.mol2(FDBF03175)
Important binding residues for 4hy5_ligand_1_4.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hy5 | ARG308 | -1.32 | 0.46 | -0.86 | 0.40 | -0.45 |
| 4hy5 | CYS309 | -1.11 | -0.77 | -1.88 | 1.14 | -0.73 |
